1-(4-fluorophenyl)-4-piperidin-1-ylbutan-1-one

C15H20FNO — CID 14641

IUPAC1-(4-fluorophenyl)-4-piperidin-1-ylbutan-1-one
SMILESO=C(CCCN1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C15H20FNO/c16-14-8-6-13(7-9-14)15(18)5-4-12-17-10-2-1-3-11-17/h6-9H,1-5,10-12H2
InChIKeyLUKOGYUKYPZBFP-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.27
Rot. Bonds5

About 1-(4-fluorophenyl)-4-piperidin-1-ylbutan-1-one

1-(4-fluorophenyl)-4-piperidin-1-ylbutan-1-one (PubChem CID 14641) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-piperidin-1-ylbutan-1-one
PubChem CID14641
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name1-(4-fluorophenyl)-4-piperidin-1-ylbutan-1-one
SMILESO=C(CCCN1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C15H20FNO/c16-14-8-6-13(7-9-14)15(18)5-4-12-17-10-2-1-3-11-17/h6-9H,1-5,10-12H2
InChIKeyLUKOGYUKYPZBFP-UHFFFAOYSA-N
XLogP3.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-piperidin-1-ylbutan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-4-piperidin-1-ylbutan-1-one (CID 14641) is 1-(4-fluorophenyl)-4-piperidin-1-ylbutan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-piperidin-1-ylbutan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-piperidin-1-ylbutan-1-one is O=C(CCCN1CCCCC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-piperidin-1-ylbutan-1-one?
The InChIKey is LUKOGYUKYPZBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c16-14-8-6-13(7-9-14)15(18)5-4-12-17-10-2-1-3-11-17/h6-9H,1-5,10-12H2.
What are the key properties of 1-(4-fluorophenyl)-4-piperidin-1-ylbutan-1-one?
1-(4-fluorophenyl)-4-piperidin-1-ylbutan-1-one has a molecular weight of 249.33 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 14641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).